(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione

C11H8N2O4 — CID 12807269

IUPAC(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc3c2OCO3)N1
InChIInChI=1S/C11H8N2O4/c14-10-7(12-11(15)13-10)4-6-2-1-3-8-9(6)17-5-16-8/h1-4H,5H2,(H2,12,13,14,15)/b7-4-
InChIKeyPRECQMQTUBOIDD-DAXSKMNVSA-N
MW232.19 g/mol
LogP0.60
Rot. Bonds1

About (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione

(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 12807269) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione
PubChem CID12807269
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc3c2OCO3)N1
InChIInChI=1S/C11H8N2O4/c14-10-7(12-11(15)13-10)4-6-2-1-3-8-9(6)17-5-16-8/h1-4H,5H2,(H2,12,13,14,15)/b7-4-
InChIKeyPRECQMQTUBOIDD-DAXSKMNVSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Imidazolidinedione, 5-((2,5-dimethoxyphenyl)methylene)-
CID 2246764
5-Piperonylidene-2-thiohydantoin
CID 745583
5-Vanillylidenehydantoin
CID 291123
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-methyliminoimidazolidin-4-one
CID 136486945
(5z)-5-(1,3-Benzodioxol-5-Ylmethylidene)-3-Methyl-2-(Propan-2-Ylamino)imidazol-4-One
CID 136086893
(5Z)-5-(2-hydroxy-3-methoxybenzylidene)imidazolidine-2,4-dione
CID 6922771
(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-3,5-dihydro-3-methyl-2-(propylamino)-4H-imidazol-4-one
CID 136026138
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethyliminoimidazolidin-4-one
CID 136033544
(4Z)-2-amino-4-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-5-one
CID 166823787
6-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-dihydropyrimidine-2,4-dione
CID 5761520
(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 10059907
(5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione
CID 2189796

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione (CID 12807269) is (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc3c2OCO3)N1.
What is the InChIKey of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is PRECQMQTUBOIDD-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10-7(12-11(15)13-10)4-6-2-1-3-8-9(6)17-5-16-8/h1-4H,5H2,(H2,12,13,14,15)/b7-4-.
What are the key properties of (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione?
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 232.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1,3-benzodioxol-4-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 12807269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).